5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile
TL;DR: 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile (CAS 498537-16-9) is a chemical compound with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile
Also Known As: 5-(adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile, AM-807/12427026, 5-(1-adamantylcarbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile, 4-amino-2-[(4-methoxyphenyl)amino]-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)thiophene-3-carbonitrile, 5-((1s,3s)-adamantane-1-carbonyl)-4-amino-2-((4-methoxyphenyl)amino)thiophene-3-carbonitrile
| Molecular Formula | C23H25N3O2S |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 5.35328 |
| Topological Polar Surface Area | 88.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.16675 |
| Heavy Atoms | 29 |
| Complexity | 967.0815 |
Chemical Identifiers
| CAS Number | 498537-16-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C34CC5CC(C3)CC(C5)C4)N)C#N |
Product Overview
5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile (CAS 498537-16-9), with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol. IUPAC: 5-(adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile.
Chemical Property Profile of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile
Property Insights of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile
The XLogP value of 5.35328 indicates that 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile?
The CAS number of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile is 498537-16-9.
What is the molecular formula of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile?
The molecular formula of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile is C23H25N3O2S.
What is the molecular weight of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile?
The molecular weight of 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile is 407.17 g/mol.
Where can I buy 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile?
You can request a quote for 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.